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Similarity search, bins and murcko scaffolds
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|
4
|
1923
|
September 13, 2021
|
|
Identifying endmembers in point data
|
|
2
|
1185
|
February 18, 2022
|
|
Smarts search in 3D or searching patterns in a sphere
|
|
2
|
1187
|
February 3, 2022
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
14
|
2911
|
June 23, 2023
|
|
mol2 writer does not encode molecular title
|
|
4
|
1710
|
May 20, 2021
|
|
Optimizing a workflow analyzing the similarity distance to the nearest neighbour in a compound library.
|
|
8
|
1774
|
May 5, 2021
|
|
USPTO reaction smiles - yield curation
|
|
1
|
1665
|
April 23, 2021
|
|
Using crystal structure as template for 3D coordinates for new molecules
|
|
3
|
1289
|
April 18, 2021
|
|
Drug molecule similarity extraction from ChEMBL
|
|
1
|
1006
|
April 15, 2021
|
|
¿Como hago une ejecutable (.exe) de un flujo en knime?
|
|
1
|
2059
|
March 31, 2021
|
|
SMARTS Pattern to exclude fused rings but include bridges rings
|
|
3
|
2050
|
March 27, 2021
|
|
Cross validation Q2
|
|
3
|
1776
|
June 23, 2023
|
|
Tanimoto similarity using count-based fingerprints?
|
|
4
|
3620
|
June 23, 2023
|
|
General SMARTS Patterns for any ring size
|
|
5
|
1823
|
February 25, 2021
|
|
3D-e-Chem KRIPO-DB nodes issue
|
|
5
|
793
|
February 15, 2021
|
|
Implementation of MTNNGC_ADMET in KNIME
|
|
1
|
812
|
February 3, 2021
|
|
Generation of Murcko Scaffolds and additional ring assembly fragmentation
|
|
3
|
1287
|
February 3, 2021
|
|
SMARTS pattern to match rings
|
|
3
|
1987
|
February 3, 2021
|
|
V4.3.0 Changes to file reader node with smiles
|
|
3
|
939
|
January 27, 2021
|
|
Online course question
|
|
3
|
843
|
January 2, 2021
|
|
Altering the structure of a chemical compound
|
|
5
|
631
|
May 21, 2021
|
|
Identifying fragments of a multi-fragment structure
|
|
4
|
704
|
November 13, 2020
|
|
Extracting data from MedChem patent?
|
|
4
|
1579
|
May 3, 2021
|
|
Error using CCG node
|
|
1
|
468
|
October 28, 2020
|
|
Input data format for Model Acceptability Criteria node
|
|
8
|
1091
|
June 23, 2023
|
|
Error in workflow execution with Padel
|
|
3
|
1463
|
September 28, 2020
|
|
Similarity search with user defined coefficients
|
|
4
|
929
|
August 7, 2020
|
|
chemical fingerprints in a regression
|
|
9
|
1465
|
January 14, 2021
|
|
Highlight and Label R-group decomposition
|
|
1
|
506
|
July 8, 2020
|
|
Identify IUPAC Names from structures
|
|
5
|
2257
|
June 28, 2020
|